1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

C14H16BrF2N3 — CID 106583054

IUPAC1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(-c2cc(Br)c(F)cc2F)c(NCC(C)C)n1
InChIInChI=1S/C14H16BrF2N3/c1-8(2)6-18-14-19-9(3)7-20(14)13-4-10(15)11(16)5-12(13)17/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyQQENHKSWIPZBGP-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.29
Rot. Bonds4

About 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106583054) has the molecular formula C14H16BrF2N3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106583054
Molecular FormulaC14H16BrF2N3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(-c2cc(Br)c(F)cc2F)c(NCC(C)C)n1
InChIInChI=1S/C14H16BrF2N3/c1-8(2)6-18-14-19-9(3)7-20(14)13-4-10(15)11(16)5-12(13)17/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyQQENHKSWIPZBGP-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106583039
1-(2-bromo-5-chlorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106577963
1-(2,5-dibromophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106566394
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557033
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
CID 107628425
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106583054) is 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is Cc1cn(-c2cc(Br)c(F)cc2F)c(NCC(C)C)n1.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is QQENHKSWIPZBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3/c1-8(2)6-18-14-19-9(3)7-20(14)13-4-10(15)11(16)5-12(13)17/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 344.20 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106583054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).